#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikm s LEU 5 N 0.00 0.76 0.06 -1.84 -0.00 -1.26 -5.05 118.68 111.35 1ikm s LEU 5 Ca 0.00 -1.32 0.23 0.00 -0.00 0.00 0.00 54.13 53.04 1ikm s LEU 5 Cb 0.00 1.60 -0.01 0.00 -0.00 0.00 0.00 46.19 47.78 1ikm s LEU 5 CO 0.00 -1.27 0.96 -1.14 -0.00 0.00 0.00 176.35 174.90 1ikm n ARG 6 N -0.50 0.37 -0.02 1.48 0.63 -1.26 -4.41 116.66 112.95 1ikm n ARG 6 Ca -0.00 -0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.81 1ikm n ARG 6 Cb 0.62 -1.62 -0.05 0.00 0.45 0.00 0.00 32.46 31.87 1ikm n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ikm n GLN 8 N -5.42 0.00 -4.02 0.00 7.27 -1.26 -4.90 117.38 109.05 1ikm n GLN 8 Ca -0.03 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.71 1ikm n GLN 8 Cb 0.34 -1.78 -0.15 0.00 2.41 0.00 0.00 30.24 31.07 1ikm n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ikm h ILE 10 N 6.61 0.92 -3.80 0.00 5.03 -2.02 -3.45 117.51 120.80 1ikm h ILE 10 Ca -0.21 -2.42 -0.56 0.00 -0.12 0.00 0.00 64.86 61.55 1ikm h ILE 10 Cb 1.05 2.39 -0.32 0.00 -3.03 0.00 0.00 36.82 36.92 1ikm h ILE 10 CO 0.49 0.52 -0.83 -0.54 -0.68 0.00 0.00 178.15 177.11 1ikm s LYS 11 N -2.87 1.81 0.00 2.37 1.02 -1.26 -5.14 119.74 115.66 1ikm s LYS 11 Ca 0.01 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1ikm s LYS 11 Cb 0.08 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 1ikm s LYS 11 CO 0.79 0.20 0.00 0.25 -0.92 0.00 0.00 175.35 175.67 1ikm n THR 12 N 3.27 0.00 -3.90 2.17 -2.24 -1.26 -4.56 114.28 107.76 1ikm n THR 12 Ca -0.19 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 1ikm n THR 12 Cb 0.53 -0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 67.75 1ikm n THR 12 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ikm s TYR 13 N 1.03 3.39 -0.00 4.78 5.04 0.33 -4.86 117.35 127.05 1ikm s TYR 13 Ca 0.00 -2.15 0.11 0.00 -2.44 0.00 0.00 57.07 52.60 1ikm s TYR 13 Cb 0.00 -2.42 -0.16 0.00 0.35 0.00 0.00 41.96 39.73 1ikm s TYR 13 CO 0.00 -0.86 1.10 1.03 -1.34 0.00 0.00 175.55 175.48 1ikm h SER 14 N 7.95 0.00 -3.56 4.32 0.87 -1.92 -3.01 113.55 118.19 1ikm h SER 14 Ca -0.17 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.87 1ikm h SER 14 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1ikm h SER 14 CO 0.56 0.86 0.47 -0.54 -0.53 0.00 0.00 176.83 177.64 1ikm s LYS 15 N -2.75 4.60 0.55 2.24 -0.14 -1.26 -5.01 119.74 117.96 1ikm s LYS 15 Ca -0.00 1.69 -0.11 0.00 -1.36 0.00 0.00 55.97 56.19 1ikm s LYS 15 Cb 0.09 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1ikm s LYS 15 CO 0.81 0.09 0.94 -1.25 -0.76 0.00 0.00 175.35 175.17 1ikm s PRO 16 N -0.34 3.67 0.13 -1.68 0.04 -1.26 -5.04 135.00 130.53 1ikm s PRO 16 Ca 0.49 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 1ikm s PRO 16 Cb -0.29 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.13 1ikm s PRO 16 CO 0.34 -0.38 0.60 -0.59 0.04 0.00 0.00 177.00 177.01 1ikm s PHE 17 N -2.89 -0.54 0.28 0.56 -0.71 -1.26 -5.14 117.98 108.28 1ikm s PHE 17 Ca 0.54 0.40 -0.29 0.00 -1.04 0.00 0.00 56.93 56.53 1ikm s PHE 17 Cb -0.11 0.53 -0.10 0.00 -1.21 0.00 0.00 43.02 42.13 1ikm s PHE 17 CO 0.45 -0.81 1.35 -1.58 -1.34 0.00 0.00 175.22 173.29 1ikm s HIS 18 N -3.45 3.08 0.04 3.49 5.65 -1.26 -4.96 115.29 117.88 1ikm s HIS 18 Ca -0.00 1.25 -0.16 0.00 0.25 0.00 0.00 55.06 56.39 1ikm s HIS 18 Cb -0.01 -3.71 -0.27 0.00 -1.18 0.00 0.00 32.58 27.41 1ikm s HIS 18 CO -0.10 -2.14 1.10 -1.00 -0.65 0.00 0.00 174.74 171.95 1ikm h PRO 19 N 4.33 0.57 -0.65 2.88 0.13 -1.98 -3.34 132.00 133.95 1ikm h PRO 19 Ca -0.47 -0.72 0.19 0.00 -0.87 0.00 0.00 66.00 64.13 1ikm h PRO 19 Cb 1.22 0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.55 1ikm h PRO 19 CO 0.72 1.31 0.63 -0.22 -0.23 0.00 0.00 178.00 180.21 1ikm h LYS 20 N 0.16 0.00 -0.81 0.86 3.64 -1.98 0.47 116.57 118.91 1ikm h LYS 20 Ca -0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1ikm h LYS 20 Cb 1.74 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.52 1ikm h LYS 20 CO 0.20 0.00 0.49 0.74 -2.27 0.00 0.00 179.45 178.61 1ikm h PHE 21 N 0.00 1.07 -2.22 1.91 0.04 -1.98 -3.41 116.94 112.34 1ikm h PHE 21 Ca 0.31 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.51 1ikm h PHE 21 Cb 1.56 -0.35 0.02 0.00 2.20 0.00 0.00 35.95 39.38 1ikm h PHE 21 CO 0.00 0.71 1.16 -0.89 -0.60 0.00 0.00 178.31 178.69 1ikm n ILE 22 N -4.37 0.65 0.07 -0.55 5.41 0.16 -1.02 119.36 119.71 1ikm n ILE 22 Ca 0.09 -0.12 -0.04 0.00 1.00 0.00 0.00 62.75 63.68 1ikm n ILE 22 Cb 0.07 -2.10 -0.08 0.00 -0.71 0.00 0.00 39.64 36.82 1ikm n ILE 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ikm h LYS 23 N 9.77 0.00 0.00 0.38 1.63 -0.99 -3.46 116.57 123.90 1ikm h LYS 23 Ca -0.49 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.27 1ikm h LYS 23 Cb 1.25 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1ikm h LYS 23 CO 0.94 0.77 -0.01 0.39 -3.45 0.00 0.00 179.45 178.09 1ikm n GLU 24 N -3.26 0.12 0.00 1.90 1.02 -1.24 -5.00 120.64 114.18 1ikm n GLU 24 Ca -0.02 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 1ikm n GLU 24 Cb 0.89 0.41 0.00 0.00 -0.02 0.00 0.00 31.44 32.72 1ikm n GLU 24 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ikm n ARG 26 N -0.09 0.00 -4.00 3.49 1.74 -0.30 -1.40 116.66 116.11 1ikm n ARG 26 Ca -0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 1ikm n ARG 26 Cb 0.09 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.47 1ikm n ARG 26 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ikm s VAL 27 N 0.00 4.94 -0.17 1.55 -7.23 -1.26 -1.30 120.40 116.93 1ikm s VAL 27 Ca 0.00 -0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 1ikm s VAL 27 Cb 0.00 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 1ikm s VAL 27 CO 0.00 0.20 0.10 -0.63 -0.31 0.00 0.00 175.10 174.46 1ikm s ILE 28 N -1.38 5.13 1.16 -0.62 1.01 0.02 -4.93 121.20 121.59 1ikm s ILE 28 Ca 0.30 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 1ikm s ILE 28 Cb -0.12 -3.30 0.27 0.00 0.01 0.00 0.00 42.46 39.31 1ikm s ILE 28 CO 0.22 0.49 1.04 -1.83 0.00 0.00 0.00 174.94 174.86 1ikm s GLU 29 N 0.04 -0.87 0.31 2.79 1.03 -1.26 -3.17 118.70 117.56 1ikm s GLU 29 Ca 0.08 0.50 0.06 0.00 0.03 0.00 0.00 54.97 55.64 1ikm s GLU 29 Cb -0.12 -1.59 -0.02 0.00 -0.80 0.00 0.00 34.13 31.61 1ikm s GLU 29 CO 0.00 -3.60 0.40 -1.54 -1.33 0.00 0.00 175.26 169.19 1ikm s SER 30 N -3.07 5.95 0.00 0.83 1.04 -1.26 -4.71 113.70 112.49 1ikm s SER 30 Ca 0.68 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1ikm s SER 30 Cb -0.20 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1ikm s SER 30 CO 0.61 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1ikm n GLY 31 N -1.52 -0.79 0.15 7.32 0.00 -0.77 -4.95 105.19 104.62 1ikm n GLY 31 Ca -0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 1ikm n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ikm h PRO 32 N 0.00 0.26 -0.67 1.61 0.13 -1.98 -3.16 132.00 128.20 1ikm h PRO 32 Ca 0.00 -0.24 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1ikm h PRO 32 Cb 0.00 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1ikm h PRO 32 CO 0.00 0.92 0.33 1.12 -0.23 0.00 0.00 178.00 180.14 1ikm h HIS 33 N 0.17 0.92 -3.01 1.56 2.07 -1.98 -3.42 115.15 111.46 1ikm h HIS 33 Ca -0.03 -0.03 -0.23 0.00 -2.85 0.00 0.00 60.37 57.23 1ikm h HIS 33 Cb 1.37 -0.29 -0.32 0.00 2.57 0.00 0.00 27.41 30.73 1ikm h HIS 33 CO 0.03 0.67 -0.55 0.00 -3.07 0.00 0.00 177.93 175.01 1ikm h ALA 35 N 7.88 -0.42 -2.57 0.00 0.00 -1.82 -2.05 119.26 120.27 1ikm h ALA 35 Ca -0.25 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 53.98 1ikm h ALA 35 Cb 1.13 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1ikm h ALA 35 CO 0.24 -0.67 -0.22 -0.80 0.00 0.00 0.00 179.25 177.80 1ikm s ASN 36 N -4.93 6.51 0.53 0.00 0.01 -1.26 -4.60 114.94 111.20 1ikm s ASN 36 Ca -0.15 0.70 -0.18 0.00 -0.71 0.00 0.00 52.86 52.51 1ikm s ASN 36 Cb 0.04 -2.13 -0.06 0.00 0.41 0.00 0.00 41.25 39.50 1ikm s ASN 36 CO 0.61 -0.05 1.04 -0.89 -1.51 0.00 0.00 177.10 176.30 1ikm s THR 37 N -1.83 3.83 -0.04 1.60 2.01 -1.26 -4.80 115.64 115.14 1ikm s THR 37 Ca 0.43 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.46 1ikm s THR 37 Cb -0.11 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1ikm s THR 37 CO 0.25 -0.37 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.04 1ikm s GLU 38 N -3.61 1.04 0.39 4.92 2.56 -1.19 -4.67 118.70 118.14 1ikm s GLU 38 Ca 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 54.97 55.38 1ikm s GLU 38 Cb -0.16 -0.96 -0.04 0.00 2.00 0.00 0.00 34.13 34.98 1ikm s GLU 38 CO 0.27 -0.00 0.63 0.42 -0.56 0.00 0.00 175.26 176.02 1ikm s ILE 39 N 0.64 5.03 -0.31 -3.70 1.09 -1.15 -0.80 121.20 122.01 1ikm s ILE 39 Ca -0.10 -0.20 0.01 0.00 -1.10 0.00 0.00 60.65 59.27 1ikm s ILE 39 Cb -0.13 -3.85 0.15 0.00 -1.06 0.00 0.00 42.46 37.56 1ikm s ILE 39 CO 0.01 -0.64 0.36 -0.63 -0.10 0.00 0.00 174.94 173.93 1ikm s ILE 40 N -2.45 -0.49 0.45 2.92 1.01 -0.42 -1.94 121.20 120.28 1ikm s ILE 40 Ca 0.43 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1ikm s ILE 40 Cb -0.10 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1ikm s ILE 40 CO 0.39 -0.41 0.62 0.68 0.00 0.00 0.00 174.94 176.22 1ikm s VAL 41 N 2.26 3.15 -0.36 2.92 -7.23 -1.00 -1.15 120.40 118.99 1ikm s VAL 41 Ca 0.11 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1ikm s VAL 41 Cb -0.13 -3.10 0.12 0.00 0.56 0.00 0.00 36.38 33.82 1ikm s VAL 41 CO -0.26 -0.05 0.16 -0.75 -0.31 0.00 0.00 175.10 173.88 1ikm s LYS 42 N -4.46 0.90 0.53 4.82 2.36 -0.49 -2.53 119.74 120.87 1ikm s LYS 42 Ca 0.54 -1.43 -0.20 0.00 -2.55 0.00 0.00 55.97 52.33 1ikm s LYS 42 Cb -0.10 -2.04 -0.08 0.00 -1.05 0.00 0.00 37.83 34.55 1ikm s LYS 42 CO 0.35 -1.07 0.73 1.28 1.55 0.00 0.00 175.35 178.18 1ikm n LEU 43 N 4.30 1.77 0.32 5.43 4.77 -0.00 -0.43 117.00 133.16 1ikm n LEU 43 Ca 0.03 0.83 0.20 0.00 -0.03 0.00 0.00 56.01 57.04 1ikm n LEU 43 Cb 0.39 -1.25 1.08 0.00 -2.33 0.00 0.00 43.42 41.30 1ikm n LEU 43 CO 0.16 -2.44 1.17 0.77 -1.33 0.00 0.00 177.39 175.72 1ikm h SER 44 N 0.61 0.00 -0.05 -1.43 4.64 -1.39 -1.47 113.55 114.45 1ikm h SER 44 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ikm h SER 44 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1ikm h SER 44 CO 0.50 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.80 1ikm n ASP 45 N -3.20 1.51 -1.70 4.97 2.03 -1.26 -4.80 116.55 114.11 1ikm n ASP 45 Ca -0.02 -2.08 -0.12 0.00 0.52 0.00 0.00 54.79 53.09 1ikm n ASP 45 Cb 0.16 -0.52 0.02 0.00 -0.72 0.00 0.00 41.12 40.06 1ikm n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ikm n GLY 46 N 0.08 0.04 3.65 0.27 0.00 -0.57 -5.03 105.19 103.63 1ikm n GLY 46 Ca 0.02 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1ikm n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ikm s ARG 47 N -5.12 2.34 -0.13 1.61 6.06 -1.13 -4.96 118.95 117.62 1ikm s ARG 47 Ca 0.16 -1.31 -0.01 0.00 -2.50 0.00 0.00 55.73 52.07 1ikm s ARG 47 Cb -0.07 -2.23 0.03 0.00 0.06 0.00 0.00 34.95 32.74 1ikm s ARG 47 CO 0.19 0.39 -0.06 -2.00 -2.50 0.00 0.00 175.30 171.33 1ikm s GLU 48 N -3.44 1.37 -0.10 5.12 2.12 -1.26 -0.82 118.70 121.69 1ikm s GLU 48 Ca 0.30 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.35 1ikm s GLU 48 Cb -0.07 -1.65 0.02 0.00 0.26 0.00 0.00 34.13 32.69 1ikm s GLU 48 CO 0.19 -0.33 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.96 1ikm s LEU 49 N 1.72 1.53 0.10 2.70 1.02 -1.05 -5.00 118.68 119.70 1ikm s LEU 49 Ca 0.04 -0.35 -0.28 0.00 0.02 0.00 0.00 54.13 53.56 1ikm s LEU 49 Cb -0.13 -0.93 -0.06 0.00 0.02 0.00 0.00 46.19 45.09 1ikm s LEU 49 CO -0.08 -0.02 0.89 0.00 0.02 0.00 0.00 176.35 177.16 1ikm s LEU 51 N -0.12 4.19 -0.32 0.00 1.02 -0.82 0.12 118.68 122.75 1ikm s LEU 51 Ca 0.44 0.33 -0.10 0.00 0.02 0.00 0.00 54.13 54.81 1ikm s LEU 51 Cb -0.23 -3.13 -0.01 0.00 0.02 0.00 0.00 46.19 42.84 1ikm s LEU 51 CO 0.28 -0.12 0.18 -0.62 0.02 0.00 0.00 176.35 176.08 1ikm s ASP 52 N -3.61 5.68 0.01 2.29 2.15 -1.14 -2.92 116.67 119.14 1ikm s ASP 52 Ca 0.38 -0.52 0.15 0.00 0.43 0.00 0.00 52.55 52.99 1ikm s ASP 52 Cb -0.10 -2.04 0.63 0.00 -0.30 0.00 0.00 42.92 41.12 1ikm s ASP 52 CO 0.31 -0.21 1.47 -0.81 -0.17 0.00 0.00 175.17 175.76 1ikm n PRO 53 N 5.01 0.01 0.25 4.34 -0.04 -1.26 -2.90 135.00 140.41 1ikm n PRO 53 Ca -0.13 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1ikm n PRO 53 Cb 0.49 -1.52 0.65 0.00 -0.04 0.00 0.00 33.50 33.08 1ikm n PRO 53 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ikm h LYS 54 N 0.00 0.00 -7.39 0.54 1.63 -1.94 -3.43 116.57 105.98 1ikm h LYS 54 Ca 0.00 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 59.34 1ikm h LYS 54 Cb 0.25 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 31.97 1ikm h LYS 54 CO 0.00 0.11 0.27 -1.21 -3.45 0.00 0.00 179.45 175.17 1ikm s GLU 55 N -4.57 2.01 0.05 1.90 0.41 -1.14 -4.99 118.70 112.35 1ikm s GLU 55 Ca -0.04 -0.24 0.22 0.00 -0.41 0.00 0.00 54.97 54.50 1ikm s GLU 55 Cb 0.15 -2.11 -0.13 0.00 -1.78 0.00 0.00 34.13 30.25 1ikm s GLU 55 CO 0.64 -1.41 0.81 -1.71 -0.49 0.00 0.00 175.26 173.10 1ikm n ASN 56 N -3.06 0.46 0.08 -0.19 2.85 -1.26 -4.06 115.26 110.09 1ikm n ASN 56 Ca 0.09 -0.08 -0.18 0.00 -0.11 0.00 0.00 54.58 54.30 1ikm n ASN 56 Cb 0.60 1.20 -0.10 0.00 1.24 0.00 0.00 39.78 42.72 1ikm n ASN 56 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1ikm h TRP 57 N 0.00 0.79 -0.46 1.20 5.08 -1.94 -0.75 115.95 119.87 1ikm h TRP 57 Ca 0.00 -0.49 -0.04 0.00 1.08 0.00 0.00 58.89 59.44 1ikm h TRP 57 Cb 0.87 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 26.95 1ikm h TRP 57 CO 0.00 1.33 0.12 0.28 -1.28 0.00 0.00 178.44 178.89 1ikm h VAL 58 N 0.23 1.23 0.00 0.12 2.07 -1.81 0.82 116.25 118.92 1ikm h VAL 58 Ca -0.14 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 1ikm h VAL 58 Cb 1.81 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1ikm h VAL 58 CO 0.21 0.29 -0.66 0.06 0.02 0.00 0.00 177.57 177.49 1ikm h GLN 59 N 0.61 0.00 0.19 1.57 3.07 -1.70 -2.04 115.11 116.81 1ikm h GLN 59 Ca 0.14 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.57 1ikm h GLN 59 Cb 0.31 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.90 1ikm h GLN 59 CO 0.00 0.66 -1.35 0.00 0.09 0.00 0.00 178.83 178.23 1ikm h ARG 60 N 0.00 0.50 -0.64 0.06 3.08 -0.83 -2.71 114.38 113.83 1ikm h ARG 60 Ca -0.01 -0.78 -0.04 0.00 0.07 0.00 0.00 59.98 59.22 1ikm h ARG 60 Cb 1.27 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 31.57 1ikm h ARG 60 CO 0.09 1.37 0.24 0.28 -1.07 0.00 0.00 179.97 180.87 1ikm h VAL 61 N 0.17 1.24 -0.47 2.04 2.07 0.69 -0.38 116.25 121.60 1ikm h VAL 61 Ca -0.21 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1ikm h VAL 61 Cb 2.04 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1ikm h VAL 61 CO 0.25 0.30 0.16 0.58 0.02 0.00 0.00 177.57 178.88 1ikm h VAL 62 N 0.91 1.22 -0.37 2.57 2.07 -1.42 0.10 116.25 121.34 1ikm h VAL 62 Ca 0.21 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1ikm h VAL 62 Cb 0.23 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1ikm h VAL 62 CO -0.01 0.26 0.13 -0.08 0.02 0.00 0.00 177.57 177.89 1ikm h GLU 63 N 0.63 0.57 0.00 1.57 4.81 -1.17 -1.30 114.58 119.68 1ikm h GLU 63 Ca 0.15 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1ikm h GLU 63 Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1ikm h GLU 63 CO -0.01 0.57 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.25 1ikm h LYS 64 N 0.45 0.00 -0.33 1.92 3.64 -0.91 0.12 116.57 121.46 1ikm h LYS 64 Ca 0.12 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1ikm h LYS 64 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1ikm h LYS 64 CO -0.01 0.37 -0.29 0.35 -2.27 0.00 0.00 179.45 177.61 1ikm h PHE 65 N 0.00 0.92 0.00 1.91 3.57 -0.32 -3.38 116.94 119.64 1ikm h PHE 65 Ca -0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1ikm h PHE 65 Cb 0.66 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1ikm h PHE 65 CO 0.00 1.03 0.00 1.28 -2.23 0.00 0.00 178.31 178.39 1ikm n LEU 66 N -4.22 0.02 0.00 0.59 4.77 -0.53 -5.08 117.00 112.55 1ikm n LEU 66 Ca -0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1ikm n LEU 66 Cb 0.48 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ikm n LEU 66 CO 0.46 -0.50 0.00 1.17 -1.33 0.00 0.00 177.39 177.19 1ikm n LYS 67 N -2.19 0.00 -3.75 3.23 3.00 0.39 -5.09 118.16 113.76 1ikm n LYS 67 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1ikm n LYS 67 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1ikm n LYS 67 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1ikm s ARG 68 N -0.95 1.65 -0.07 1.64 1.70 -1.24 -4.55 118.95 117.13 1ikm s ARG 68 Ca 0.00 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.11 1ikm s ARG 68 Cb 0.00 0.60 0.10 0.00 -0.57 0.00 0.00 34.95 35.08 1ikm s ARG 68 CO 0.00 -0.75 0.86 0.00 -1.08 0.00 0.00 175.30 174.33 1ikm s ALA 69 N -3.86 -1.84 0.06 7.88 0.00 -1.26 -5.01 121.76 117.73 1ikm s ALA 69 Ca 0.09 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1ikm s ALA 69 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1ikm s ALA 69 CO 0.02 -0.45 0.00 0.39 0.00 0.00 0.00 175.76 175.72 1ikm n GLU 70 N 0.46 2.12 -3.52 0.00 1.02 -1.26 -5.15 120.64 114.32 1ikm n GLU 70 Ca -0.13 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.84 1ikm n GLU 70 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.95 1ikm n GLU 70 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ikm s ASN 71 N -1.00 -0.66 0.00 1.62 4.22 -1.26 -5.23 114.94 112.63 1ikm s ASN 71 Ca 0.00 0.73 0.00 0.00 -2.14 0.00 0.00 52.86 51.45 1ikm s ASN 71 Cb 0.00 0.56 0.00 0.00 1.28 0.00 0.00 41.25 43.09 1ikm s ASN 71 CO 0.00 -0.60 0.00 -1.20 -2.04 0.00 0.00 177.10 173.26